SCHEMBL2902855

SCHEMBL2902855

O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(=O)N(CCC(O)CN2CCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 7/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CCR2 P41597 4/20 0.44
PYGL P06737 4/20 0.42
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2902866 1.00 GPR183 (0.49) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2902868 1.00 GPR183 (0.49) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2902864 1.00 GPR183 (0.49) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903970 1.00 GPR183 (0.49) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903972 1.00 GPR183 (0.49) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2904845 0.92 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2896228 0.92 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2902256 0.92 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903272 0.92 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2902254 0.92 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US disclosed
EP-2010506-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007122103-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 GPR183 86/4885NPC1 1598/4885RAB9A 1942/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.